6-bromanyl-5-methoxy-8-nitro-3-[(phenylmethyl)amino]-1,2-dihydronaphthalene-1-carbonitrile

Systemtic Name: 6-bromanyl-5-methoxy-8-nitro-3-[(phenylmethyl)amino]-1,2-dihydronaphthalene-1-carbonitrile Openeye Name: 3-(benzylamino)-6-bromo-5-methoxy-8-nitro-1,2-dihydronaphthalene-1-carbonitrile CAS Name: 6-bromo-5-methoxy-8-nitro-3-[(phenylmethyl)amino]-1,2-dihydronaphthalene-1-carbonitrile IUPAC Name: 3-(benzylamino)-6-bromo-5-methoxy-8-nitro-1,2-dihydronaphthalene-1-carbonitrile Traditional Name: 3-(benzylamino)-6-bromo-5-methoxy-8-nitro-1,2-dihydronaphthalene-1-carbonitrile Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1C=C(CC2C#N)NCC3=CC=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C2=C1C=C(CC2C#N)NCC3=CC=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H16BrN3O3/c1-26-19-15-8-14(22-11-12-5-3-2-4-6-12)7-13(10-21)18(15)17(23(24)25)9-16(19)20/h2-6,8-9,13,22H,7,11H2,1H3